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	hartrees
Energy at 0K	-131.851902
Energy at 298.15K	-131.854535
HF Energy	-131.851902
Nuclear repulsion energy	61.659357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	2968	0.26
2	A'	3174	2884	31.73
3	A'	2033	1847	179.12
4	A'	1644	1493	0.16
5	A'	1289	1171	16.68
6	A'	1092	992	313.12
7	A'	999	908	58.39
8	A'	511	464	28.95
9	A"	3371	3063	9.90
10	A"	1261	1146	13.90
11	A"	1069	971	9.80
12	A"	305	277	5.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.068	-1.154	0.000
N2	0.000	0.091	0.000
C3	-0.056	1.317	0.000
H4	-0.096	-1.692	0.932
H5	-0.096	-1.692	-0.932
H6	0.936	1.771	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2472	2.4718	1.0760	1.0760	3.0927
N2	1.2472		1.2277	2.0139	2.0139	1.9230
C3	2.4718	1.2277		3.1505	3.1505	1.0902
H4	1.0760	2.0139	3.1505		1.8635	3.7314
H5	1.0760	2.0139	3.1505	1.8635		3.7314
H6	3.0927	1.9230	1.0902	3.7314	3.7314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	174.266	N2	C1	H4	120.012
N2	C1	H5	120.012	N2	C3	H6	111.979
H4	C1	H5	119.975

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HF/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.076
2	N	-0.206
3	C	-0.090
4	H	0.127
5	H	0.127
6	H	0.119

	x	y	z	Total
	1.490	-2.013	0.000	2.504
CHELPG
AIM
ESP

	x	y	z
x	2.686	0.333	0.000
y	0.333	8.902	0.000
z	0.000	0.000	2.793

<r²>	41.463
(<r²>)^1/2	6.439

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)